FT of HETCOR spectra

• Open file XXX_VCHSHF.gxd
• click "FT along t2"
• Choose these options:
  • complex
  • make zero-filling, e.g. from initial 1024 to final 2048
  • apodization function: "user", click "EM", set LB=2
• => ok
• click "done" (left top edge)
• click "FT along t1"
• important:"Dataset type" must be set to "AV complex reversed" (Note: this "mirrors" the spectrum along f1; you may also employ the "Process => reverse spectrum => along f1" tool after complex FT)
• apply "linear prediction", "forward"
• points to predict e.g. 129 to 256; base points 1 - 128, coeff. count 8
• apodization function "Pseudo Echo"
• => ok
• click "done" (left top edge)

Don't hesitate to play around with processing parameters, e.g. linear prediction instead of zero-filling in t2; compare spectra with those obtained by routine output

FT of COSY spectra

• Open file XXX_VCOSYNH.gxd
• click "FT along t2"
• Choose these options:
  • complex
  • make zero-filling, e.g. from initial 1024 to final 2048
  • apodization function: "sine bell"
• => ok
• click "done" (left top edge)
• click "FT along t1"
• "Dataset type": default
• apply "linear prediction", "forward"
• points to predict e.g. 129 to 256; base points 1 - 128, coeff. count 8
• apodization function "Sine Bell"
• => ok
• click "done" (left top edge)

Don't hesitate to play around with processing parameters, e.g. linear prediction instead of zero-filling in t2; compare spectra with those obtained by routine output

How to plot high-resolution 1D spectra at a 2D spectrum

• Important: 1D spectrum must be processed and stored before it can be plotted to a 2D spectrum!
• select "Tools =>setup 1D curves"
• click "Horz" in top bar
• select appropriate 1D spectrum (XXX_BCM.ESP = ¹³C; XXX_NON.ESP = ¹H)
• adjustment: move cursor into 2D-spectrum
• press "Strg"
• press left mouse button, drag left => 1D-spectrum will move right
• fine-adjust 1D-spectrum to correct cross peaks, use zoom function if needed
• repeat adjustment along f1:
  • click "Vert"
  • click "Spectrum"
  • select XXX_NON.ESP
  • press "Strg"
  • move cursor into 2D plot
  • press left mouse button, drag mouse cursor down => spectrum will move up
• click green "ok" (top left edge) when adjustments are finished

NMR Department
Institute of Organic Chemistry
Location: Rooms U34, U35, U36
University of Erlangen-Nürnberg
Henkestrasse 42
D-91054 Erlangen, Germany
Phone +49-(0)-9131-85-22987
FAX +49-(0)-9131-85-22991
e-mail: bauer (at) chemie.uni-erlangen.de

May 09, 2007